| Compound Information | SONAR Target prediction | | Name: | DEXAMETHASONE SODIUM PHOSPHATE | | Unique Identifier: | SPE01500232 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 489.19 g/mol | | X log p: | 2.424 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 116.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(
F)C(O)CC21C | | Source: | semisynthetic | | Therapeutics: | glucocorticoid, antiinflammatory |
| Species: |
4932 |
| Condition: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7098±0.00325269 |
| Normalized OD Score: sc h |
0.9963±0.00131581 |
| Z-Score: |
-0.4457±0.0845213 |
| p-Value: |
0.65641 |
| Z-Factor: |
-11.352 |
| Fitness Defect: |
0.421 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 11|E10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.40 Celcius | | Date: | 2007-11-23 YYYY-MM-DD | | Plate CH Control (+): | 0.040225±0.00038 | | Plate DMSO Control (-): | 0.6945999999999999±0.17313 | | Plate Z-Factor: | 0.1411 |
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| 6602501 |
[2-[(9R,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclope
nta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid |
| 6713572 |
[2-[(8S,9R,10R,11R,13R,14R,16S,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid |
| 6995145 |
(8R,9S,10S,11S,13S,14R,16S,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-
6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 6995146 |
[2-[(8R,9S,10S,11S,13S,14R,16S,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid |
| 7061359 |
(8S,9R,10S,11R,13S,14R,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-
6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 7061360 |
[2-[(8S,9R,10S,11R,13S,14R,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1865 | Additional Members: 13 | Rows returned: 3 | |
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